SCHEMBL7965689

SCHEMBL7965689

CCCOc1ccc(C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.67
PDE6C P51160 2/20 0.67
KMT2A Q03164 2/20 0.66
PDE1A P54750 2/20 0.66
PDE1B Q01064 2/20 0.66
PDE1C Q14123 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
KDM4E B2RXH2 1/20 0.64
HDAC6 Q9UBN7 3/20 0.60
PDE3B Q13370 2/20 0.60
PDE3A Q14432 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 1/20 0.60
PDE2A O00408 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCC5 O15440 1/20 0.60
PDE6D O43924 1/20 0.60
PDE8A O60658 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7958884 0.89 PDE5A (0.66) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL7960910 0.88 PDE5A (0.64) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL7965467 0.88 PDE5A (0.66) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL799 0.87 PDE5A (0.86) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL31202656 0.87 PDE5A (0.86) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL30233995 0.86 KMT2A (0.88) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL31202676 0.86 KMT2A (0.73) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL1253 0.86 KMT2A (0.73) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL8231278 0.86 KMT2A (0.88) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL7962710 0.86 PDE5A (0.64) PDE5APDE6CKMT2APDE1APDE1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746284-B1 SALT AND POLYMORPH OF PYRAZOLOPYRIMIDINONE COMPOUND AND DRUG COMPOSITION, PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2017-04-12 EP disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed